[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea

C16H19N3O2 — CID 43784748

IUPAC[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
SMILESCC(Nc1cccc(CO)c1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H19N3O2/c1-11(18-15-4-2-3-12(9-15)10-20)13-5-7-14(8-6-13)19-16(17)21/h2-9,11,18,20H,10H2,1H3,(H3,17,19,21)
InChIKeyZCSGADCQPBYNMH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.84
Rot. Bonds5

About [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea

[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea (PubChem CID 43784748) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
PubChem CID43784748
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea
SMILESCC(Nc1cccc(CO)c1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H19N3O2/c1-11(18-15-4-2-3-12(9-15)10-20)13-5-7-14(8-6-13)19-16(17)21/h2-9,11,18,20H,10H2,1H3,(H3,17,19,21)
InChIKeyZCSGADCQPBYNMH-UHFFFAOYSA-N
XLogP2.84
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
CID 43744548
1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 131994372
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368
2-[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenoxy]acetonitrile
CID 43784671
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
[4-[1-(3-bromo-5-methylanilino)ethyl]phenyl]urea
CID 104938370
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
CID 43714977
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
CID 65312424

Frequently Asked Questions

What is the IUPAC name of [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea (CID 43784748) is [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea is CC(Nc1cccc(CO)c1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea?
The InChIKey is ZCSGADCQPBYNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(18-15-4-2-3-12(9-15)10-20)13-5-7-14(8-6-13)19-16(17)21/h2-9,11,18,20H,10H2,1H3,(H3,17,19,21).
What are the key properties of [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea?
[4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea has a molecular weight of 285.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[3-(hydroxymethyl)anilino]ethyl]phenyl]urea is sourced from PubChem (CID 43784748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).